HRID2129509

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID104477

N,N,2,2-Tetramethylpropane-1,3-diamine

C7H18N2

结构：CSc1nccc(Oc2ccc(NC(=O)c3cccc(-c4ccc(F)cc4C)c3)c3ccccc23)n1

HCID59553187

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(F)ccc1-c1cccc(C(=O)Nc2ccc(Oc3ccnc(NCC(C)(C)CN(C)C)n3)c3ccccc23)c1

HCID59553153

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5d978e5a2fc46b8ab0c04023bccbc81
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:1][S:2][c:3]1[n:4][cH:5][cH:6][c:7]([O:9][c:10]2[cH:11][cH:12][c:13]([NH:20][C:21](=[O:22])[c:23]3[cH:24][c:25](-[c:29]4[c:30]([CH3:36])[cH:31][c:32]([F:35])[cH:33][cH:34]4)[cH:26][cH:27][cH:28]3)[c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]23)[n:8]1.[CH3:37][N:38]([CH2:39][C:40]([CH2:41][NH2:42])([CH3:43])[CH3:44])[CH3:45]>>[c:3]1([NH:42][CH2:41][C:40]([CH2:39][N:38]([CH3:37])[CH3:45])([CH3:43])[CH3:44])[n:4][cH:5][cH:6][c:7]([O:9][c:10]2[cH:11][cH:12][c:13]([NH:20][C:21](=[O:22])[c:23]3[cH:24][c:25](-[c:29]4[c:30]([CH3:36])[cH:31][c:32]([F:35])[cH:33][cH:34]4)[cH:26][cH:27][cH:28]3)[c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]23)[n:8]1